#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8o n ALA 1 N 0.00 -2.78 0.00 4.61 0.00 -1.26 -5.09 120.51 115.99 1v8o n ALA 1 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1v8o n ALA 1 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1v8o n ALA 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8o n ALA 2 N -0.58 0.00 -2.47 0.00 0.00 -1.26 -5.14 120.51 111.07 1v8o n ALA 2 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1v8o n ALA 2 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1v8o n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1v8o s VAL 3 N -0.14 4.73 0.00 0.00 1.01 -1.22 -3.61 120.40 121.18 1v8o s VAL 3 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1v8o s VAL 3 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1v8o s VAL 3 CO 0.00 0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.76 1v8o n GLU 4 N 3.19 2.57 -5.05 2.72 1.02 0.26 -4.99 120.64 120.36 1v8o n GLU 4 Ca 0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 1v8o n GLU 4 Cb 0.50 -0.98 -0.15 0.00 -0.02 0.00 0.00 31.44 30.79 1v8o n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8o s TYR 5 N -1.96 2.38 -0.29 -0.32 1.51 -0.41 -0.82 117.35 117.44 1v8o s TYR 5 Ca 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1v8o s TYR 5 Cb 0.00 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1v8o s TYR 5 CO 0.00 0.07 0.14 -1.17 -1.11 0.00 0.00 175.55 173.48 1v8o s LEU 6 N -0.96 3.90 -0.20 -1.29 2.96 0.20 -0.68 118.68 122.61 1v8o s LEU 6 Ca 0.11 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1v8o s LEU 6 Cb -0.10 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1v8o s LEU 6 CO 0.01 -0.12 0.08 -0.69 -1.32 0.00 0.00 176.35 174.31 1v8o s VAL 7 N 1.65 4.80 0.24 1.68 1.01 0.34 -0.41 120.40 129.70 1v8o s VAL 7 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1v8o s VAL 7 Cb -0.16 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1v8o s VAL 7 CO 0.06 0.42 0.32 -0.90 0.00 0.00 0.00 175.10 175.01 1v8o n ASP 8 N 3.86 0.48 -0.02 3.32 5.68 -1.06 -4.41 116.55 124.40 1v8o n ASP 8 Ca -0.16 -1.39 -0.12 0.00 -0.50 0.00 0.00 54.79 52.61 1v8o n ASP 8 Cb 0.52 -0.21 -0.08 0.00 -1.14 0.00 0.00 41.12 40.22 1v8o n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v8o h ALA 9 N -0.41 0.09 -0.78 2.12 0.00 -1.91 0.24 119.26 118.61 1v8o h ALA 9 Ca -0.11 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.77 1v8o h ALA 9 Cb 0.41 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1v8o h ALA 9 CO 0.12 -0.24 0.52 0.66 0.00 0.00 0.00 179.25 180.31 1v8o h SER 10 N -0.17 0.49 0.13 0.00 4.64 -1.96 0.15 113.55 116.83 1v8o h SER 10 Ca 0.02 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1v8o h SER 10 Cb 0.34 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1v8o h SER 10 CO 0.00 0.26 -0.06 0.00 -0.87 0.00 0.00 176.83 176.16 1v8o h ALA 11 N 1.63 -0.18 -0.93 5.18 0.00 -1.79 -3.14 119.26 120.04 1v8o h ALA 11 Ca 0.38 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.37 1v8o h ALA 11 Cb 0.75 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 1v8o h ALA 11 CO -0.14 -0.21 0.21 1.25 0.00 0.00 0.00 179.25 180.36 1v8o h LEU 12 N -0.96 -0.11 -0.07 0.00 7.12 0.12 0.23 115.31 121.63 1v8o h LEU 12 Ca -0.02 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.22 1v8o h LEU 12 Cb 0.45 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1v8o h LEU 12 CO 0.03 -0.25 0.04 0.22 -0.13 0.00 0.00 178.44 178.35 1v8o h TYR 13 N 0.12 0.09 -0.66 1.25 3.20 -0.80 -1.40 116.97 118.76 1v8o h TYR 13 Ca 0.60 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.41 1v8o h TYR 13 Cb 1.29 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 1v8o h TYR 13 CO -0.31 0.11 0.18 0.00 -1.64 0.00 0.00 178.16 176.50 1v8o h ALA 14 N 0.97 0.87 -0.66 1.82 0.00 -0.64 -2.96 119.26 118.66 1v8o h ALA 14 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1v8o h ALA 14 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1v8o h ALA 14 CO -0.00 0.58 0.30 -0.07 0.00 0.00 0.00 179.25 180.06 1v8o h LEU 15 N 0.98 0.86 -1.92 0.00 3.38 -0.56 -2.47 115.31 115.58 1v8o h LEU 15 Ca 0.21 -0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.26 1v8o h LEU 15 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1v8o h LEU 15 CO -0.00 0.74 0.56 0.00 0.09 0.00 0.00 178.44 179.83 1v8o h ALA 16 N 1.39 2.44 -0.07 1.53 0.00 -1.08 0.66 119.26 124.14 1v8o h ALA 16 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1v8o h ALA 16 Cb 0.12 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1v8o h ALA 16 CO -0.03 -0.89 -0.47 0.00 0.00 0.00 0.00 179.25 177.87 1v8o h ALA 17 N 1.46 0.15 -0.79 0.00 0.00 -1.54 -3.29 119.26 115.25 1v8o h ALA 17 Ca 0.30 -0.50 -0.69 0.00 0.00 0.00 0.00 54.91 54.02 1v8o h ALA 17 Cb 1.42 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.02 1v8o h ALA 17 CO -0.00 0.32 1.31 0.72 0.00 0.00 0.00 179.25 181.60 1v8o n HIS 18 N -4.29 2.38 0.00 0.00 8.25 0.22 -4.82 115.22 116.97 1v8o n HIS 18 Ca -0.09 -2.42 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 1v8o n HIS 18 Cb 0.59 -1.47 0.00 0.00 1.12 0.00 0.00 29.99 30.23 1v8o n HIS 18 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1v8o n TYR 19 N 0.75 0.00 -0.28 4.41 9.36 -1.20 -2.50 117.16 127.71 1v8o n TYR 19 Ca 0.54 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.78 1v8o n TYR 19 Cb 0.34 -0.25 0.07 0.00 -0.63 0.00 0.00 39.34 38.87 1v8o n TYR 19 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1v8o n ASP 20 N -1.75 -0.36 -0.34 2.98 8.00 -1.26 -0.89 116.55 122.92 1v8o n ASP 20 Ca 0.00 1.30 0.19 0.00 0.71 0.00 0.00 54.79 56.99 1v8o n ASP 20 Cb 0.00 -0.35 0.42 0.00 -0.02 0.00 0.00 41.12 41.17 1v8o n ASP 20 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1v8o h LYS 21 N 0.00 0.52 0.00 -1.24 1.57 -1.88 -3.23 116.57 112.30 1v8o h LYS 21 Ca 0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1v8o h LYS 21 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1v8o h LYS 21 CO -0.76 0.34 -0.68 -2.67 -0.57 0.00 0.00 179.45 175.12 1v8o n TRP 22 N -4.80 0.00 -0.84 -1.35 4.27 -0.07 -4.87 117.44 109.79 1v8o n TRP 22 Ca 0.26 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.59 1v8o n TRP 22 Cb 0.78 -0.02 0.22 0.00 -1.36 0.00 0.00 31.31 30.94 1v8o n TRP 22 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1v8o s ILE 23 N -2.28 2.01 0.00 -1.67 1.09 -1.18 -1.57 121.20 117.60 1v8o s ILE 23 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.60 1v8o s ILE 23 Cb 0.10 -2.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.23 1v8o s ILE 23 CO 0.54 -0.00 0.00 0.29 -0.10 0.00 0.00 174.94 175.67 1v8o n LYS 24 N -4.61 0.00 0.00 2.79 5.02 -1.26 -4.41 118.16 115.69 1v8o n LYS 24 Ca 0.04 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1v8o n LYS 24 Cb 0.56 -0.03 0.34 0.00 -0.02 0.00 0.00 35.03 35.88 1v8o n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1v8o n HIS 25 N 0.00 0.00 0.00 2.13 8.25 -0.61 -4.83 115.22 120.16 1v8o n HIS 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1v8o n HIS 25 Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1v8o n HIS 25 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1v8o n ARG 26 N -1.31 1.15 -0.37 -0.41 -4.01 -0.98 -2.86 116.66 107.87 1v8o n ARG 26 Ca 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.89 1v8o n ARG 26 Cb 0.33 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.75 1v8o n ARG 26 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1v8o n GLU 27 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.06 120.64 118.20 1v8o n GLU 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1v8o n GLU 27 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 31.44 27.80 1v8o n GLU 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1v8o n LYS 28 N -1.29 1.67 -3.74 3.44 4.81 -1.13 -3.37 118.16 118.54 1v8o n LYS 28 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1v8o n LYS 28 Cb 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 35.03 34.11 1v8o n LYS 28 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1v8o s LEU 29 N -2.40 4.41 0.05 3.14 1.02 -1.25 0.91 118.68 124.56 1v8o s LEU 29 Ca 0.00 0.64 -0.06 0.00 0.02 0.00 0.00 54.13 54.72 1v8o s LEU 29 Cb 0.00 -2.36 -0.01 0.00 0.02 0.00 0.00 46.19 43.84 1v8o s LEU 29 CO 0.00 0.35 0.12 0.00 0.02 0.00 0.00 176.35 176.84 1v8o s ALA 30 N -1.11 -0.09 0.39 4.21 0.00 0.14 -2.82 121.76 122.49 1v8o s ALA 30 Ca 0.20 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1v8o s ALA 30 Cb -0.14 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1v8o s ALA 30 CO 0.10 -0.37 0.16 0.96 0.00 0.00 0.00 175.76 176.61 1v8o s ILE 31 N -3.01 0.44 0.40 0.00 -4.36 0.07 0.13 121.20 114.86 1v8o s ILE 31 Ca -0.02 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 1v8o s ILE 31 Cb 0.01 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 1v8o s ILE 31 CO -0.06 0.00 0.33 -0.76 0.24 0.00 0.00 174.94 174.68 1v8o s LEU 32 N -3.56 3.38 0.40 0.37 1.43 -1.26 -1.49 118.68 117.95 1v8o s LEU 32 Ca 0.27 -0.75 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1v8o s LEU 32 Cb 0.02 -1.98 0.84 0.00 0.03 0.00 0.00 46.19 45.10 1v8o s LEU 32 CO 0.17 -0.58 1.98 0.45 0.23 0.00 0.00 176.35 178.60 1v8o h HIS 33 N 1.14 0.34 -0.87 0.29 3.86 -1.94 -1.98 115.15 115.99 1v8o h HIS 33 Ca -0.42 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.78 1v8o h HIS 33 Cb 1.26 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 1v8o h HIS 33 CO 0.54 0.34 0.57 1.25 0.86 0.00 0.00 177.93 181.48 1v8o h LEU 34 N 0.33 1.00 -0.48 2.43 6.46 -1.96 -2.96 115.31 120.14 1v8o h LEU 34 Ca 0.08 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1v8o h LEU 34 Cb 0.20 -0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 39.78 1v8o h LEU 34 CO 0.00 0.73 -0.17 0.74 -0.62 0.00 0.00 178.44 179.12 1v8o h THR 35 N 1.18 0.42 -0.59 1.05 2.02 -1.73 -1.01 112.91 114.26 1v8o h THR 35 Ca 0.32 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.62 1v8o h THR 35 Cb -0.12 0.42 -0.10 0.00 -1.74 0.00 0.00 68.15 66.61 1v8o h THR 35 CO -0.07 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.24 1v8o h ILE 36 N -0.07 0.53 -0.53 3.11 2.04 -1.63 0.26 117.51 121.22 1v8o h ILE 36 Ca 0.23 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 1v8o h ILE 36 Cb 0.42 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1v8o h ILE 36 CO -0.53 0.02 -0.10 1.88 0.00 0.00 0.00 178.15 179.43 1v8o h TYR 37 N 0.13 1.12 -0.11 1.37 -1.99 -1.42 0.82 116.97 116.89 1v8o h TYR 37 Ca 0.31 -0.23 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1v8o h TYR 37 Cb 0.48 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1v8o h TYR 37 CO -0.34 1.04 0.05 0.93 -0.00 0.00 0.00 178.16 179.85 1v8o h GLU 38 N 0.88 0.16 -0.67 4.88 5.08 -0.20 0.17 114.58 124.88 1v8o h GLU 38 Ca 0.14 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1v8o h GLU 38 Cb 0.66 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1v8o h GLU 38 CO 0.05 0.23 0.43 0.00 -1.00 0.00 0.00 179.01 178.71 1v8o h ALA 39 N 0.92 0.86 -0.32 3.43 0.00 -0.44 -0.72 119.26 122.99 1v8o h ALA 39 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1v8o h ALA 39 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1v8o h ALA 39 CO -0.00 0.22 0.18 0.78 0.00 0.00 0.00 179.25 180.42 1v8o h GLY 40 N 0.85 0.48 1.18 0.00 0.00 -0.49 -2.36 103.07 102.74 1v8o h GLY 40 Ca 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1v8o h GLY 40 CO -0.08 0.21 0.29 -0.57 0.00 0.00 0.00 176.54 176.38 1v8o h ASN 41 N 0.40 0.96 -0.23 0.19 -0.73 -0.22 -0.55 115.58 115.41 1v8o h ASN 41 Ca 0.11 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.16 1v8o h ASN 41 Cb 0.05 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 1v8o h ASN 41 CO -0.02 0.85 0.14 0.00 -0.37 0.00 0.00 177.43 178.03 1v8o h ALA 42 N 1.29 0.29 -0.18 1.57 0.00 -0.91 -0.92 119.26 120.40 1v8o h ALA 42 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1v8o h ALA 42 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1v8o h ALA 42 CO -0.02 -0.26 -0.20 1.25 0.00 0.00 0.00 179.25 180.02 1v8o h LEU 43 N 0.28 0.30 -0.51 0.00 6.46 -1.10 -2.15 115.31 118.59 1v8o h LEU 43 Ca 0.09 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1v8o h LEU 43 Cb -0.01 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1v8o h LEU 43 CO -0.04 0.52 0.07 -0.25 -0.62 0.00 0.00 178.44 178.12 1v8o h TRP 44 N 0.29 0.92 -0.93 1.25 7.01 -0.57 -1.77 115.95 122.14 1v8o h TRP 44 Ca 0.05 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 60.93 1v8o h TRP 44 Cb 0.51 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 1v8o h TRP 44 CO 0.01 0.84 0.61 0.87 -2.79 0.00 0.00 178.44 177.98 1v8o h LYS 45 N 0.74 1.20 -0.01 2.65 1.57 -0.57 0.16 116.57 122.32 1v8o h LYS 45 Ca 0.15 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1v8o h LYS 45 Cb 0.42 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1v8o h LYS 45 CO 0.01 0.80 -0.10 0.93 -0.57 0.00 0.00 179.45 180.52 1v8o h GLU 46 N 1.24 -0.17 -0.41 3.15 4.39 -1.12 -1.04 114.58 120.62 1v8o h GLU 46 Ca 0.35 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.08 1v8o h GLU 46 Cb -0.11 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1v8o h GLU 46 CO -0.08 -0.11 0.23 0.00 -1.16 0.00 0.00 179.01 177.88 1v8o h ALA 47 N 0.80 0.52 -0.16 3.43 0.00 -0.66 -2.78 119.26 120.41 1v8o h ALA 47 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1v8o h ALA 47 Cb 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1v8o h ALA 47 CO -0.11 -0.11 -0.21 0.00 0.00 0.00 0.00 179.25 178.82 1v8o h ARG 48 N 0.46 -0.24 -0.89 0.00 2.47 -0.16 -0.25 114.38 115.78 1v8o h ARG 48 Ca 0.17 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1v8o h ARG 48 Cb 0.04 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1v8o h ARG 48 CO -0.09 -0.16 0.00 1.28 0.56 0.00 0.00 179.97 181.56 1v8o n LEU 49 N -5.35 1.17 -0.79 3.04 4.77 -0.45 -4.86 117.00 114.53 1v8o n LEU 49 Ca -0.02 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1v8o n LEU 49 Cb 0.26 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1v8o n LEU 49 CO 0.18 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1v8o n GLY 50 N 0.23 -2.23 2.95 -0.72 0.00 -0.11 -5.04 105.19 100.28 1v8o n GLY 50 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.37 1v8o n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v8o s ARG 51 N -1.92 0.32 0.36 1.61 3.52 -1.24 -4.77 118.95 116.82 1v8o s ARG 51 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 55.73 55.67 1v8o s ARG 51 Cb 0.00 0.06 0.50 0.00 -1.56 0.00 0.00 34.95 33.95 1v8o s ARG 51 CO 0.00 -0.48 1.14 0.28 -0.81 0.00 0.00 175.30 175.42 1v8o h VAL 52 N 4.09 0.00 0.00 7.11 2.07 -1.94 -3.20 116.25 124.38 1v8o h VAL 52 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1v8o h VAL 52 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1v8o h VAL 52 CO -0.03 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.03 1v8o n ASP 53 N -2.02 0.00 0.00 0.57 8.00 -1.26 -4.58 116.55 117.25 1v8o n ASP 53 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1v8o n ASP 53 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1v8o n ASP 53 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1v8o n TRP 54 N 0.00 0.00 -0.19 1.24 4.27 -1.21 -2.79 117.44 118.76 1v8o n TRP 54 Ca 0.00 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.58 1v8o n TRP 54 Cb 0.00 0.00 0.07 0.00 -1.36 0.00 0.00 31.31 30.02 1v8o n TRP 54 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1v8o h ALA 55 N 0.00 0.75 0.25 -1.67 0.00 -1.89 1.26 119.26 117.96 1v8o h ALA 55 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1v8o h ALA 55 Cb 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 17.75 1v8o h ALA 55 CO 0.00 -0.05 -1.49 0.00 0.00 0.00 0.00 179.25 177.71 1v8o h ALA 56 N 1.31 -0.13 -0.62 0.00 0.00 -1.83 -3.21 119.26 114.78 1v8o h ALA 56 Ca 0.26 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1v8o h ALA 56 Cb 0.17 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1v8o h ALA 56 CO -0.18 0.73 0.18 0.00 0.00 0.00 0.00 179.25 179.99 1v8o h ALA 57 N 0.18 1.15 -0.77 0.00 0.00 -1.68 -2.45 119.26 115.69 1v8o h ALA 57 Ca -0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1v8o h ALA 57 Cb 2.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1v8o h ALA 57 CO 0.27 0.59 0.42 0.66 0.00 0.00 0.00 179.25 181.19 1v8o h SER 58 N 0.92 0.97 -0.32 0.00 4.64 0.15 -1.15 113.55 118.77 1v8o h SER 58 Ca 0.20 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1v8o h SER 58 Cb 0.28 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1v8o h SER 58 CO -0.01 0.79 0.20 0.03 -0.87 0.00 0.00 176.83 176.97 1v8o h ARG 59 N 1.07 0.42 -0.14 4.77 3.08 -1.45 -0.13 114.38 122.01 1v8o h ARG 59 Ca 0.27 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1v8o h ARG 59 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1v8o h ARG 59 CO -0.04 0.30 -0.02 1.25 -1.07 0.00 0.00 179.97 180.39 1v8o h HIS 60 N 0.42 -0.04 -0.27 3.04 2.76 -1.06 -1.32 115.15 118.68 1v8o h HIS 60 Ca 0.11 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1v8o h HIS 60 Cb -0.02 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 1v8o h HIS 60 CO -0.05 -0.04 -0.04 1.25 -1.30 0.00 0.00 177.93 177.75 1v8o h LEU 61 N 0.02 -0.19 -0.84 0.26 6.46 -0.96 -0.87 115.31 119.19 1v8o h LEU 61 Ca 0.07 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.08 1v8o h LEU 61 Cb 0.09 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.05 1v8o h LEU 61 CO -0.13 -0.06 0.36 0.50 -0.62 0.00 0.00 178.44 178.48 1v8o h LYS 62 N 0.03 0.43 0.12 1.25 3.64 -0.41 -2.10 116.57 119.53 1v8o h LYS 62 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1v8o h LYS 62 Cb 0.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1v8o h LYS 62 CO -0.25 0.28 -0.06 0.87 -2.27 0.00 0.00 179.45 178.02 1v8o h LYS 63 N 0.44 -0.16 -0.44 1.90 1.57 -0.14 -2.32 116.57 117.44 1v8o h LYS 63 Ca 0.49 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1v8o h LYS 63 Cb 0.83 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1v8o h LYS 63 CO -0.46 0.16 0.00 0.28 -0.57 0.00 0.00 179.45 178.86 1v8o n VAL 64 N -5.01 0.00 0.00 0.50 0.31 -0.44 -2.97 118.33 110.71 1v8o n VAL 64 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1v8o n VAL 64 Cb 0.21 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1v8o n VAL 64 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1v8o n SER 66 N 0.49 0.00 0.24 4.52 3.41 -0.87 -3.74 113.62 117.66 1v8o n SER 66 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1v8o n SER 66 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 1v8o n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1v8o h SER 67 N 0.00 0.00 -3.42 4.04 0.02 -1.82 -3.44 113.55 108.92 1v8o h SER 67 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1v8o h SER 67 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1v8o h SER 67 CO 0.00 0.16 0.03 -0.36 -1.14 0.00 0.00 176.83 175.52 1v8o s PHE 68 N -4.53 3.52 -0.10 3.45 0.40 -1.25 -4.44 117.98 115.05 1v8o s PHE 68 Ca -0.04 0.76 -0.15 0.00 -0.60 0.00 0.00 56.93 56.90 1v8o s PHE 68 Cb 0.15 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 1v8o s PHE 68 CO 0.66 -0.12 0.36 0.21 0.70 0.00 0.00 175.22 177.03 1v8o s LYS 69 N -4.34 4.12 -0.17 0.44 2.36 -1.13 -4.93 119.74 116.10 1v8o s LYS 69 Ca 0.46 0.27 -0.08 0.00 -2.55 0.00 0.00 55.97 54.07 1v8o s LYS 69 Cb -0.10 -3.35 -0.04 0.00 -1.05 0.00 0.00 37.83 33.28 1v8o s LYS 69 CO 0.39 0.39 0.09 0.08 1.55 0.00 0.00 175.35 177.85 1v8o s VAL 70 N -0.05 5.09 0.44 4.02 1.01 -1.26 -0.76 120.40 128.90 1v8o s VAL 70 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1v8o s VAL 70 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1v8o s VAL 70 CO 0.08 0.50 0.68 -0.76 0.00 0.00 0.00 175.10 175.60 1v8o s LEU 71 N 0.00 3.70 0.47 3.92 1.43 -0.56 -4.95 118.68 122.69 1v8o s LEU 71 Ca 0.08 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.40 1v8o s LEU 71 Cb -0.12 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.69 1v8o s LEU 71 CO 0.00 -0.61 1.33 -0.70 0.23 0.00 0.00 176.35 176.60 1v8o s GLU 72 N -4.56 3.63 0.45 1.70 2.56 -1.26 -4.41 118.70 116.81 1v8o s GLU 72 Ca 0.47 2.18 -0.24 0.00 0.00 0.00 0.00 54.97 57.38 1v8o s GLU 72 Cb -0.10 -2.53 -0.07 0.00 2.00 0.00 0.00 34.13 33.42 1v8o s GLU 72 CO 0.39 -0.78 1.25 -0.51 -0.56 0.00 0.00 175.26 175.05 1v8o s ASP 73 N -0.84 6.10 0.70 -1.70 -0.00 -1.26 -4.98 116.67 114.69 1v8o s ASP 73 Ca 0.63 2.51 -0.11 0.00 -0.00 0.00 0.00 52.55 55.58 1v8o s ASP 73 Cb -0.39 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 39.92 1v8o s ASP 73 CO 0.48 -0.98 1.07 -2.84 -0.00 0.00 0.00 175.17 172.89 1v8o s PRO 74 N -2.53 2.89 0.09 8.23 0.02 -1.26 -4.99 135.00 137.45 1v8o s PRO 74 Ca 0.62 0.78 -0.31 0.00 0.02 0.00 0.00 61.00 62.11 1v8o s PRO 74 Cb -0.34 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 1v8o s PRO 74 CO 0.42 -1.09 1.25 -2.14 -0.33 0.00 0.00 177.00 175.12 1v8o s PRO 75 N -5.14 4.41 0.41 5.54 0.02 -1.26 -4.86 135.00 134.12 1v8o s PRO 75 Ca 0.58 1.87 0.17 0.00 0.02 0.00 0.00 61.00 63.64 1v8o s PRO 75 Cb -0.13 -3.31 1.07 0.00 0.02 0.00 0.00 34.50 32.15 1v8o s PRO 75 CO 0.54 -0.29 1.84 1.25 -0.33 0.00 0.00 177.00 180.01 1v8o h LEU 76 N 6.65 0.43 0.00 -5.54 6.46 -2.00 -2.56 115.31 118.75 1v8o h LEU 76 Ca -0.42 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1v8o h LEU 76 Cb 1.21 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1v8o h LEU 76 CO 0.82 0.16 0.00 -0.67 -0.62 0.00 0.00 178.44 178.13 1v8o n ASP 77 N -4.53 0.00 -0.23 1.25 4.64 -1.26 -3.36 116.55 113.05 1v8o n ASP 77 Ca 0.20 0.65 -0.00 0.00 -1.38 0.00 0.00 54.79 54.26 1v8o n ASP 77 Cb 0.72 -0.15 0.12 0.00 -1.04 0.00 0.00 41.12 40.77 1v8o n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1v8o h GLU 78 N 0.00 0.59 -1.96 -0.67 4.39 -1.89 -3.13 114.58 111.91 1v8o h GLU 78 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1v8o h GLU 78 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1v8o h GLU 78 CO 0.00 0.39 0.00 0.28 -1.16 0.00 0.00 179.01 178.52 1v8o n VAL 79 N -4.85 0.00 0.00 3.13 0.31 -0.99 -2.34 118.33 113.59 1v8o n VAL 79 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1v8o n VAL 79 Cb 0.23 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1v8o n VAL 79 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1v8o n ARG 81 N 1.07 0.00 -0.08 5.55 0.63 -1.18 -0.13 116.66 122.51 1v8o n ARG 81 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1v8o n ARG 81 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1v8o n ARG 81 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1v8o h VAL 82 N 0.00 0.61 0.10 5.15 2.07 -1.79 0.49 116.25 122.87 1v8o h VAL 82 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1v8o h VAL 82 Cb 0.00 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1v8o h VAL 82 CO 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.15 1v8o h ALA 83 N 1.23 -0.92 -0.10 1.67 0.00 -0.81 0.40 119.26 120.73 1v8o h ALA 83 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1v8o h ALA 83 Cb 0.29 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1v8o h ALA 83 CO -0.35 -1.03 -0.21 0.28 0.00 0.00 0.00 179.25 177.94 1v8o h VAL 84 N -0.62 0.49 -0.31 0.00 2.07 -1.64 -1.48 116.25 114.76 1v8o h VAL 84 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1v8o h VAL 84 Cb 0.63 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1v8o h VAL 84 CO -0.24 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.10 1v8o h GLU 85 N -0.28 0.48 -0.12 1.57 5.08 0.20 -3.20 114.58 118.31 1v8o h GLU 85 Ca 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1v8o h GLU 85 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1v8o h GLU 85 CO -0.26 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 178.83 1v8o n ARG 86 N -4.68 1.64 -3.20 2.33 1.74 0.14 -4.93 116.66 109.70 1v8o n ARG 86 Ca -0.02 -0.96 -0.15 0.00 -0.77 0.00 0.00 57.85 55.95 1v8o n ARG 86 Cb 0.18 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1v8o n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8o n GLY 87 N 1.10 -0.20 3.64 -0.13 0.00 -0.65 -5.03 105.19 103.93 1v8o n GLY 87 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1v8o n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 88 N -5.60 2.93 0.67 0.99 1.43 -0.67 -5.06 118.68 113.36 1v8o s LEU 88 Ca 0.15 -1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 1v8o s LEU 88 Cb -0.06 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1v8o s LEU 88 CO 0.57 -0.44 0.98 0.42 0.23 0.00 0.00 176.35 178.11 1v8o s THR 89 N -2.67 2.63 0.26 5.49 -4.23 -1.26 -4.53 115.64 111.33 1v8o s THR 89 Ca 0.36 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1v8o s THR 89 Cb 0.07 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 70.96 1v8o s THR 89 CO 0.19 -0.12 1.81 0.15 -0.54 0.00 0.00 174.62 176.12 1v8o h PHE 90 N -0.46 0.93 0.10 3.99 3.57 -1.94 -0.04 116.94 123.09 1v8o h PHE 90 Ca -0.44 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 1v8o h PHE 90 Cb 1.30 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1v8o h PHE 90 CO 0.37 0.77 -0.05 1.88 -2.23 0.00 0.00 178.31 179.05 1v8o h TYR 91 N 0.87 -0.13 -0.59 0.41 0.05 -1.99 -1.85 116.97 113.73 1v8o h TYR 91 Ca 0.19 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 1v8o h TYR 91 Cb 0.29 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1v8o h TYR 91 CO 0.02 -0.00 0.02 -0.44 -1.05 0.00 0.00 178.16 176.70 1v8o h ASP 92 N -0.23 0.99 0.31 3.88 3.45 -1.90 -1.75 116.42 121.16 1v8o h ASP 92 Ca -0.01 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1v8o h ASP 92 Cb 0.19 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1v8o h ASP 92 CO 0.02 1.03 0.00 0.00 -1.57 0.00 0.00 179.24 178.72 1v8o h ALA 93 N 1.07 1.00 -0.03 3.45 0.00 -0.88 -1.61 119.26 122.26 1v8o h ALA 93 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1v8o h ALA 93 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1v8o h ALA 93 CO 0.03 0.00 -0.64 0.77 0.00 0.00 0.00 179.25 179.40 1v8o h SER 94 N 0.00 0.62 -0.22 0.00 0.02 -0.45 -1.17 113.55 112.36 1v8o h SER 94 Ca 0.00 -0.72 -0.18 0.00 -0.84 0.00 0.00 61.79 60.05 1v8o h SER 94 Cb 0.15 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1v8o h SER 94 CO 0.00 1.26 -0.54 1.88 -1.14 0.00 0.00 176.83 178.28 1v8o h TYR 95 N 0.05 1.02 -0.72 3.45 -1.99 -1.30 -1.94 116.97 115.54 1v8o h TYR 95 Ca -0.07 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.27 1v8o h TYR 95 Cb 1.33 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 1v8o h TYR 95 CO 0.13 1.17 0.35 0.00 -0.00 0.00 0.00 178.16 179.81 1v8o h ALA 96 N 0.75 0.93 0.13 3.88 0.00 -1.39 0.11 119.26 123.67 1v8o h ALA 96 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1v8o h ALA 96 Cb 1.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1v8o h ALA 96 CO 0.12 0.49 -0.06 -0.92 0.00 0.00 0.00 179.25 178.87 1v8o h TYR 97 N 1.00 -0.16 0.03 0.00 3.20 -1.12 -2.88 116.97 117.04 1v8o h TYR 97 Ca 0.25 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1v8o h TYR 97 Cb 0.11 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1v8o h TYR 97 CO 0.01 0.26 -0.07 0.28 -1.64 0.00 0.00 178.16 177.00 1v8o h VAL 98 N -0.66 0.83 -0.76 1.81 2.07 -1.33 -0.75 116.25 117.47 1v8o h VAL 98 Ca -0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 1v8o h VAL 98 Cb 0.50 0.83 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 1v8o h VAL 98 CO 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 1v8o h ALA 99 N 0.83 0.74 0.14 1.67 0.00 -1.04 0.12 119.26 121.72 1v8o h ALA 99 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1v8o h ALA 99 Cb 0.15 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1v8o h ALA 99 CO -0.05 -0.43 -0.07 0.93 0.00 0.00 0.00 179.25 179.64 1v8o h GLU 100 N 0.08 -0.19 -0.90 0.00 5.08 -1.32 0.74 114.58 118.08 1v8o h GLU 100 Ca 0.41 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 59.04 1v8o h GLU 100 Cb 0.71 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1v8o h GLU 100 CO -0.69 -0.10 0.73 0.66 -1.00 0.00 0.00 179.01 178.61 1v8o h SER 101 N -1.05 0.00 -0.31 1.42 4.64 -0.98 0.53 113.55 117.81 1v8o h SER 101 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1v8o h SER 101 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1v8o h SER 101 CO 0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 1v8o n SER 102 N -3.99 2.83 -3.68 4.97 7.64 0.41 -4.94 113.62 116.86 1v8o n SER 102 Ca 0.19 -1.90 -0.25 0.00 1.01 0.00 0.00 58.87 57.91 1v8o n SER 102 Cb 1.04 -0.20 0.07 0.00 -1.01 0.00 0.00 64.21 64.11 1v8o n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8o n GLY 103 N 1.37 -0.52 3.65 0.23 0.00 0.19 -4.98 105.19 105.13 1v8o n GLY 103 Ca 0.18 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 1v8o n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 104 N -7.27 3.25 -0.25 0.99 1.43 0.26 -5.01 118.68 112.09 1v8o s LEU 104 Ca 0.58 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1v8o s LEU 104 Cb -0.27 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1v8o s LEU 104 CO 0.76 0.04 0.58 -0.69 0.23 0.00 0.00 176.35 177.27 1v8o s VAL 105 N -2.01 5.03 -0.15 -1.59 1.01 0.00 -4.40 120.40 118.29 1v8o s VAL 105 Ca 0.29 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 1v8o s VAL 105 Cb -0.08 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1v8o s VAL 105 CO 0.19 0.07 0.99 -0.22 0.00 0.00 0.00 175.10 176.13 1v8o s LEU 106 N 2.32 4.19 -0.26 3.92 0.20 -1.26 -0.62 118.68 127.17 1v8o s LEU 106 Ca 0.24 1.44 -0.09 0.00 0.69 0.00 0.00 54.13 56.41 1v8o s LEU 106 Cb -0.16 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 1v8o s LEU 106 CO 0.09 -0.51 0.13 -0.69 -0.29 0.00 0.00 176.35 175.08 1v8o s VAL 107 N 2.39 4.81 0.09 1.68 1.01 0.45 -1.10 120.40 129.73 1v8o s VAL 107 Ca 0.46 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1v8o s VAL 107 Cb -0.17 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1v8o s VAL 107 CO 0.14 0.30 0.30 0.28 0.00 0.00 0.00 175.10 176.12 1v8o s THR 108 N 1.62 0.10 -0.17 3.92 -1.32 -0.69 -2.55 115.64 116.54 1v8o s THR 108 Ca 0.07 -0.81 0.21 0.00 -1.21 0.00 0.00 61.69 59.95 1v8o s THR 108 Cb -0.15 -1.17 -0.31 0.00 -1.51 0.00 0.00 72.50 69.36 1v8o s THR 108 CO 0.07 -0.45 0.52 1.67 -2.21 0.00 0.00 174.62 174.23 1v8o n GLN 109 N 0.04 0.58 -1.98 7.08 -0.06 -1.26 -4.04 117.38 117.75 1v8o n GLN 109 Ca -0.16 -0.16 -0.42 0.00 -2.00 0.00 0.00 57.00 54.25 1v8o n GLN 109 Cb 0.62 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 25.28 1v8o n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8o s ASP 110 N -4.19 6.65 0.28 1.69 -1.08 -1.26 -4.89 116.67 113.86 1v8o s ASP 110 Ca -0.05 2.32 -0.00 0.00 -0.52 0.00 0.00 52.55 54.29 1v8o s ASP 110 Cb 0.14 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.45 1v8o s ASP 110 CO 0.87 -0.91 1.78 0.03 0.52 0.00 0.00 175.17 177.46 1v8o h ARG 111 N 9.19 0.72 -0.33 4.34 2.47 -2.00 -2.38 114.38 126.40 1v8o h ARG 111 Ca -0.41 -0.19 -0.15 0.00 -1.26 0.00 0.00 59.98 57.98 1v8o h ARG 111 Cb 1.19 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1v8o h ARG 111 CO 0.94 0.74 -0.38 1.49 0.56 0.00 0.00 179.97 183.32 1v8o h GLU 112 N 0.68 0.77 -0.52 0.04 4.81 -2.00 -2.57 114.58 115.80 1v8o h GLU 112 Ca 0.13 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1v8o h GLU 112 Cb 0.43 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1v8o h GLU 112 CO 0.02 1.02 0.05 -0.07 -0.73 0.00 0.00 179.01 179.30 1v8o h LEU 113 N 0.64 0.85 -1.07 1.64 3.38 -1.92 -0.43 115.31 118.39 1v8o h LEU 113 Ca 0.06 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1v8o h LEU 113 Cb 0.93 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1v8o h LEU 113 CO 0.09 0.92 0.62 -0.07 0.09 0.00 0.00 178.44 180.09 1v8o h LEU 114 N 0.75 0.97 -0.12 1.67 3.38 -1.34 -0.89 115.31 119.74 1v8o h LEU 114 Ca 0.15 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 1v8o h LEU 114 Cb 0.45 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1v8o h LEU 114 CO 0.02 0.61 -0.73 0.00 0.09 0.00 0.00 178.44 178.43 1v8o h ALA 115 N 1.49 0.25 -0.39 1.53 0.00 -1.08 -3.29 119.26 117.76 1v8o h ALA 115 Ca 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1v8o h ALA 115 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1v8o h ALA 115 CO -0.17 0.59 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1v8o n LYS 116 N -4.02 2.00 -4.01 0.00 5.02 -0.21 -4.80 118.16 112.15 1v8o n LYS 116 Ca -0.08 -1.44 -0.28 0.00 -2.02 0.00 0.00 58.31 54.49 1v8o n LYS 116 Cb 0.72 -1.35 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 1v8o n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8o s THR 117 N -1.51 1.23 -0.07 -0.18 2.01 -0.37 -5.02 115.64 111.72 1v8o s THR 117 Ca 0.27 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1v8o s THR 117 Cb 0.14 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1v8o s THR 117 CO 0.17 0.40 1.60 -0.75 -0.69 0.00 0.00 174.62 175.36 1v8o s LYS 118 N 1.54 4.18 0.00 4.92 2.20 -1.26 -2.60 119.74 128.72 1v8o s LYS 118 Ca 0.03 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1v8o s LYS 118 Cb -0.13 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1v8o s LYS 118 CO -0.08 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 1v8o n GLY 119 N 4.07 0.50 3.70 5.54 0.00 -1.26 -4.82 105.19 112.92 1v8o n GLY 119 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1v8o n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8o n ALA 120 N -1.65 0.54 -2.54 4.61 0.00 -1.07 -4.32 120.51 116.08 1v8o n ALA 120 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1v8o n ALA 120 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.09 1v8o n ALA 120 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1v8o s ILE 121 N -1.73 0.05 0.62 0.00 -4.36 -0.26 -4.93 121.20 110.59 1v8o s ILE 121 Ca 0.78 -1.65 0.08 0.00 -0.26 0.00 0.00 60.65 59.61 1v8o s ILE 121 Cb -0.34 -2.08 0.11 0.00 1.25 0.00 0.00 42.46 41.40 1v8o s ILE 121 CO 0.45 -0.24 0.86 1.51 0.24 0.00 0.00 174.94 177.77 1v8o s ASP 122 N -3.03 4.88 0.32 4.36 1.47 -1.26 -1.70 116.67 121.71 1v8o s ASP 122 Ca 0.24 -0.83 0.02 0.00 1.18 0.00 0.00 52.55 53.16 1v8o s ASP 122 Cb 0.05 0.38 0.54 0.00 -0.34 0.00 0.00 42.92 43.55 1v8o s ASP 122 CO 0.04 -1.52 1.89 0.58 0.68 0.00 0.00 175.17 176.85 1v8o h VAL 123 N -0.01 1.20 -0.36 2.11 2.07 -1.94 -1.88 116.25 117.43 1v8o h VAL 123 Ca -0.30 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1v8o h VAL 123 Cb 1.28 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1v8o h VAL 123 CO 0.40 0.25 -0.10 -0.08 0.02 0.00 0.00 177.57 178.06 1v8o h GLU 124 N 0.69 0.63 -0.30 1.57 4.81 -1.95 -1.55 114.58 118.47 1v8o h GLU 124 Ca 0.16 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1v8o h GLU 124 Cb 0.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1v8o h GLU 124 CO -0.01 0.72 -0.14 1.15 -0.73 0.00 0.00 179.01 180.00 1v8o h THR 125 N 0.58 1.29 -0.82 0.32 2.02 -1.83 -2.77 112.91 111.70 1v8o h THR 125 Ca 0.11 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.09 1v8o h THR 125 Cb 0.51 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 1v8o h THR 125 CO 0.03 0.39 0.52 0.25 0.37 0.00 0.00 175.52 177.08 1v8o h LEU 126 N 0.37 0.84 -1.13 2.58 5.85 -0.97 -1.75 115.31 121.09 1v8o h LEU 126 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1v8o h LEU 126 Cb 0.66 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1v8o h LEU 126 CO 0.04 0.56 0.23 -0.07 -0.34 0.00 0.00 178.44 178.86 1v8o h LEU 127 N 0.98 0.76 -0.40 2.25 3.38 -1.14 -1.42 115.31 119.73 1v8o h LEU 127 Ca 0.34 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 1v8o h LEU 127 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1v8o h LEU 127 CO -0.14 0.69 -0.80 -0.37 0.09 0.00 0.00 178.44 177.91 1v8o h VAL 128 N 0.83 1.51 -0.09 1.22 -1.51 -1.16 -1.26 116.25 115.78 1v8o h VAL 128 Ca 0.20 -2.55 -0.01 0.00 -1.23 0.00 0.00 66.70 63.11 1v8o h VAL 128 Cb 0.17 2.39 -0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1v8o h VAL 128 CO -0.02 0.74 0.01 0.03 -1.23 0.00 0.00 177.57 177.10 1v8o h ARG 129 N 0.07 0.15 -0.17 5.19 3.08 -0.96 -2.63 114.38 119.11 1v8o h ARG 129 Ca -0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1v8o h ARG 129 Cb 1.40 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1v8o h ARG 129 CO 0.12 0.37 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.98 1v8o h LEU 130 N -0.10 0.36 -1.69 3.04 3.38 -1.28 -2.49 115.31 116.54 1v8o h LEU 130 Ca 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1v8o h LEU 130 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1v8o h LEU 130 CO 0.00 0.69 -0.19 0.00 0.09 0.00 0.00 178.44 179.03 1v8o h ALA 131 N 1.34 1.41 0.40 1.53 0.00 -1.13 -3.18 119.26 119.62 1v8o h ALA 131 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1v8o h ALA 131 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1v8o h ALA 131 CO 0.06 0.23 -0.19 0.00 0.00 0.00 0.00 179.25 179.35 1v8o h ALA 132 N 1.81 -0.59 0.00 0.00 0.00 -1.07 -3.51 119.26 115.91 1v8o h ALA 132 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1v8o h ALA 132 Cb 0.40 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1v8o h ALA 132 CO 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.72